Molecule
ID:122726
General Information
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-20-10-9-16-13(17)8-7-12(15(18)19)14(16)11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3,(H,18,19)/t12-,14+/m1/s1
InChIKey
VZYTVYBLTFIWOM-OCCSQVGLSA-N
Canonic Smiles
COCCN1C(=O)CC[C@H]([C@@H]1c1ccccc1)C(=O)O
Isomeric Smiles
N1([C@H]([C@H](C(=O)O)CCC1=O)c1ccccc1)CCOC
Calculated Properties
JChem
Acid pKa
4.37592
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.05070507
LogD (pH = 7.4)
-1.701898
Log P
1.204552
Molar Refractivity
73.1678
Polarizability
28.612207
Polar Surface Area
66.84
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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